5WA4

Pyridine synthase, TbtD, from thiomuracin biosynthesis bound to an N-terminal leader peptide fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.07809
Spacegroup name	P 21 21 21
Unit cell lengths	105.383, 105.998, 234.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.048 - 2.646
R-factor	0.2232
Rwork	0.220
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w98
RMSD bond length	0.010
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.127
High resolution limit [Å]	2.646
Number of reflections	76366
<I/σ(I)>	15.9
Completeness [%]	98.9
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.2 M magnesium formate and 17.5% PEG 3350